Niacinamide

Niacinamide

SCHEMBL8705607

NC(=O)c1cccnc1.O=P(O)(O)c1ccnc(P(=O)(O)O)c1P(=O)(O)O

nearest known ligand 0.56

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.56
SIRT1 Q96EB6 2/20 0.56
SIRT3 Q9NTG7 2/20 0.56
F7 P08709 1/20 0.56
F3 P13726 1/20 0.56
SARM1 Q6SZW1 1/20 0.56
SIRT6 Q8N6T7 1/20 0.56
SIRT5 Q9NXA8 1/20 0.56
SIRT4 Q9Y6E7 1/20 0.56
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 2/20 0.40
APP P05067 1/20 0.40
GAA P10253 1/20 0.40
HCAR3 P49019 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Niacinamide SCHEMBL3980415 0.79 SIRT2 (0.85) SIRT2SIRT1SIRT3F7F3
Niacinamide SCHEMBL29440775 0.79 SIRT2 (0.85) SIRT2SIRT1SIRT3F7F3
Niacinamide SCHEMBL3690310 0.79 SIRT2 (0.85) SIRT2SIRT1SIRT3F7F3
Niacinamide SCHEMBL28378151 0.77 SIRT2 (0.81) SIRT2SIRT1SIRT3F7F3
Niacinamide SCHEMBL7753606 0.77 F7 (0.96) SIRT2SIRT1SIRT3F7F3
Niacinamide SCHEMBL28589383 0.75 SIRT2 (0.85) SIRT2SIRT1SIRT3F7F3
Niacinamide SCHEMBL460466 0.75 F7 (1.00) SIRT2SIRT1SIRT3F7F3
Niacinamide SCHEMBL19978192 0.75
Niacinamide SCHEMBL29624874 0.75
Niacinamide SCHEMBL2926 0.75

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998004127-A2 TRANSPLANT SOLUTIONS CONTAINING PYRUVATE AND METHODS FOR TRANSPLANTATION STANKO RONALD T (US) 1998-02-05 WO disclosed